[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate

C22H42O4Si2 — CID 11270268

IUPAC[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESCC[Si](/C=C/[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C)(CC)CC
InChIInChI=1S/C22H42O4Si2/c1-10-28(11-2,12-3)16-15-20-21(26-27(8,9)22(5,6)7)14-13-19(25-20)17-24-18(4)23/h13-16,19-21H,10-12,17H2,1-9H3/b16-15+/t19-,20+,21+/m0/s1
InChIKeyAAHGIZPYLGDJCT-OLZZWBPDSA-N
MW426.75 g/mol
LogP5.87
Rot. Bonds9

About [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate

[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate (PubChem CID 11270268) has the molecular formula C22H42O4Si2 and a molecular weight of 426.75 g/mol. Its IUPAC name is [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
PubChem CID11270268
Molecular FormulaC22H42O4Si2
Molecular Weight426.75 g/mol
Exact Mass426.26
IUPAC Name[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESCC[Si](/C=C/[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C)(CC)CC
InChIInChI=1S/C22H42O4Si2/c1-10-28(11-2,12-3)16-15-20-21(26-27(8,9)22(5,6)7)14-13-19(25-20)17-24-18(4)23/h13-16,19-21H,10-12,17H2,1-9H3/b16-15+/t19-,20+,21+/m0/s1
InChIKeyAAHGIZPYLGDJCT-OLZZWBPDSA-N
XLogP5.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.75
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
(4S,8-diacetyloxy-2,6-octadiene
CID 5468986
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
CID 10859995
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
(1S,6Z,8R,10S,12Z)-10-[tri(propan-2-yl)silyloxymethyl]-2,9-dioxabicyclo[6.6.0]tetradeca-6,12-dien-3-one
CID 11112024
[(2R,3S,6S)-3-acetyloxy-6-[3-tri(propan-2-yl)silylprop-1-ynyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 11350347
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882
[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
CID 14737941
[(2E,4R)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
CID 15942569
[(E)-3-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]prop-2-enyl] acetate
CID 15942571

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The IUPAC name of [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate (CID 11270268) is [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The canonical SMILES for [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate is CC[Si](/C=C/[C@H]1O[C@H](COC(C)=O)C=C[C@H]1O[Si](C)(C)C(C)(C)C)(CC)CC.
What is the InChIKey of [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The InChIKey is AAHGIZPYLGDJCT-OLZZWBPDSA-N. The full InChI is InChI=1S/C22H42O4Si2/c1-10-28(11-2,12-3)16-15-20-21(26-27(8,9)22(5,6)7)14-13-19(25-20)17-24-18(4)23/h13-16,19-21H,10-12,17H2,1-9H3/b16-15+/t19-,20+,21+/m0/s1.
What are the key properties of [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate has a molecular weight of 426.75 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate is sourced from PubChem (CID 11270268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).